Geometry & MOs

Info

ID:	288062
PubChem CID:	104310345
Reduced:	BrClON3H5C8 (1)
Stoich.:	ABCD3E5F8 (1)
Weight, g/mol:	300.96175
ΔH_f, kcal/mol:	52.56
Dipole, Da:	2.75
IP(EA), eV:	-9.65(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromopyridin-2-yl)-5-(3-chloropropyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)C2=NOC(=N2)CCl)Br

DOS

IR

Vibrations